SCHEMBL395565

SCHEMBL395565

CCN(CC)CCN1CCN(C(=O)c2c(C)[nH]c(/C=C3\C(=O)Nc4cc(Oc5cccc(NC(=O)c6cccc(C(F)(F)F)c6)c5)ccc43)c2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.51
NTRK2 Q16620 4/20 0.50
FLT3 P36888 8/20 0.48
AURKB Q96GD4 7/20 0.48
KDR P35968 7/20 0.47
PRKAA1 Q13131 7/20 0.47
PRKAA2 P54646 5/20 0.47
CSF1R P07333 4/20 0.46
PDGFRB P09619 3/20 0.45
MET P08581 2/20 0.45
LCK P06239 3/20 0.44
NTRK3 Q16288 3/20 0.44
PLK4 O00444 2/20 0.44
DCLK1 O15075 2/20 0.44
PDPK1 O15530 2/20 0.44
DAPK3 O43293 2/20 0.44
ROCK2 O75116 2/20 0.44
RPS6KA5 O75582 2/20 0.44
RPS6KA4 O75676 2/20 0.44
MAP4K4 O95819 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL395566 1.00 NTRK1 (0.51) NTRK1NTRK2FLT3AURKBKDR
SCHEMBL10091929 0.91 NTRK1 (0.61) NTRK1NTRK2FLT3AURKBKDR
SCHEMBL396248 0.91 NTRK1 (0.61) NTRK1NTRK2FLT3AURKBKDR
SCHEMBL396247 0.91 NTRK1 (0.61) NTRK1NTRK2FLT3AURKBKDR
SCHEMBL397991 0.87 NTRK1 (0.56) NTRK1NTRK2NTRK3PDPK1SRC
SCHEMBL397990 0.87 NTRK1 (0.56) NTRK1NTRK2NTRK3PDPK1SRC
SCHEMBL397464 0.86 NTRK1 (0.54) NTRK1NTRK2FLT3AURKBKDR
SCHEMBL397463 0.86 NTRK1 (0.54) NTRK1NTRK2FLT3AURKBKDR
SCHEMBL397597 0.85 NTRK1 (0.51) NTRK1NTRK2FLT3AURKBKDR
SCHEMBL397598 0.85 NTRK1 (0.51) NTRK1NTRK2FLT3AURKBKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US claimed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP claimed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US claimed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP claimed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 WO claimed
US-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B NTRK1 226/4885NTRK2 235/4885FLT3 93/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.